(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7/c1-11-7-13(3-6-17(11)22(26)27)20(25)28-10-14-8-19(24)29-18-9-15(21-12(2)23)4-5-16(14)18/h3-9H,10H2,1-2H3,(H,21,23)