(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C26H21N3O7 MolecularWeight: 487.46084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O7/c1-16(30)28-19-7-9-21-18(11-25(31)36-24(21)12-19)15-35-26(32)22-13-20(29(33)34)8-10-23(22)27-14-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3,(H,28,30)