4-[(2,5-dimethylphenyl)amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[(2,5-dimethylphenyl)amino]-3-nitro-chromen-2-one Openeye Name: 4-(2,5-dimethylanilino)-3-nitro-chromen-2-one CAS Name: 4-(2,5-dimethylanilino)-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(2,5-dimethylanilino)-3-nitrochromen-2-one Traditional Name: 4-(2,5-dimethylanilino)-3-nitro-coumarin Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4/c1-10-7-8-11(2)13(9-10)18-15-12-5-3-4-6-14(12)23-17(20)16(15)19(21)22/h3-9,18H,1-2H3