(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (8-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (8-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4/c1-16-6-5-11-26-14-19(25-22(16)26)15-31-23(28)18-9-10-20(21(12-18)27(29)30)24-13-17-7-3-2-4-8-17/h2-12,14,24H,13,15H2,1H3