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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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