4-[(4-methylphenyl)amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[(4-methylphenyl)amino]-3-nitro-chromen-2-one Openeye Name: 4-(4-methylanilino)-3-nitro-chromen-2-one CAS Name: 4-(4-methylanilino)-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(4-methylanilino)-3-nitrochromen-2-one Traditional Name: 3-nitro-4-(p-toluidino)coumarin Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)22-16(19)15(14)18(20)21/h2-9,17H,1H3