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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6/c1-23-17-8-6-14(10-18(17)24(27)28)22(26)29-12-15-11-20(25)30-19-9-7-13-4-2-3-5-16(13)21(15)19/h2-11,23H,12H2,1H3