(3-methylquinoxalin-2-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)NC)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5/c1-15-22(28-20-10-6-5-9-19(20)27-15)14-34-25(31)18-8-4-3-7-17(18)24(30)16-11-12-21(26-2)23(13-16)29(32)33/h3-13,26H,14H2,1-2H3