methyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-phenyl-2-(1-pyrrolidinyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(2-phenyl-2-pyrrolidino-ethyl)carbamoyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)17-11-16(12-18(13-17)24(27)28)20(25)22-14-19(23-9-5-6-10-23)15-7-3-2-4-8-15/h2-4,7-8,11-13,19H,5-6,9-10,14H2,1H3,(H,22,25)