[(2R)-1-[3-(diethylazaniumyl)propyl]-2-(3-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate

Systemtic Name: [(2R)-1-[3-(diethylazaniumyl)propyl]-2-(3-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Openeye Name: [(2R)-1-[3-(diethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate CAS Name: [(2R)-1-[3-(diethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxo-3-pyrrolidinylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate IUPAC Name: [(2R)-1-[3-(diethylazaniumyl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Traditional Name: (5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[(2R)-1-[3-(diethylammonio)propyl]-4,5-diketo-2-(3-nitrophenyl)pyrrolidin-3-ylidene]methanolate Formula: C26H32N4O7 MolecularWeight: 512.55488

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)[O-])C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C2=C(NC(=C2C)C(=O)OC)C)[O-])C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O7/c1-6-28(7-2)12-9-13-29-22(17-10-8-11-18(14-17)30(35)36)20(24(32)25(29)33)23(31)19-15(3)21(26(34)37-5)27-16(19)4/h8,10-11,14,22,27,31H,6-7,9,12-13H2,1-5H3/t22-/m1/s1