1-[4-[(2-methylphenyl)amino]-8-nitro-quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-nitro-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2-methylanilino)-8-nitro-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-methylanilino)-8-nitro-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2-methylanilino)-8-nitroquinolin-3-yl]butan-1-one Traditional Name: 1-[8-nitro-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3/c1-3-7-18(24)15-12-21-20-14(9-6-11-17(20)23(25)26)19(15)22-16-10-5-4-8-13(16)2/h4-6,8-12H,3,7H2,1-2H3,(H,21,22)