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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6/c1-11-3-5-14-13(9-18(22)27-17(14)7-11)10-26-19(23)12-4-6-15(20-2)16(8-12)21(24)25/h3-9,20H,10H2,1-2H3