4-[(2-methylphenyl)amino]-3,6-dinitro-chromen-2-one

Systemtic Name: 4-[(2-methylphenyl)amino]-3,6-dinitro-chromen-2-one Openeye Name: 4-(2-methylanilino)-3,6-dinitro-chromen-2-one CAS Name: 4-(2-methylanilino)-3,6-dinitro-1-benzopyran-2-one IUPAC Name: 4-(2-methylanilino)-3,6-dinitrochromen-2-one Traditional Name: 3,6-dinitro-4-(o-toluidino)coumarin Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6/c1-9-4-2-3-5-12(9)17-14-11-8-10(18(21)22)6-7-13(11)25-16(20)15(14)19(23)24/h2-8,17H,1H3