(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C21H14N2O6 MolecularWeight: 390.34566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O6/c22-16-7-5-13(9-17(16)23(26)27)21(25)28-11-14-10-19(24)29-18-8-6-12-3-1-2-4-15(12)20(14)18/h1-10H,11,22H2