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

Systemtic Name: 1-[8-methoxy-4-[(2-methyl-4-nitro-phenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-methoxy-4-(2-methyl-4-nitro-anilino)-3-quinolyl]butan-1-one CAS Name: 1-[8-methoxy-4-(2-methyl-4-nitroanilino)-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-methoxy-4-(2-methyl-4-nitroanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-methoxy-4-(2-methyl-4-nitro-anilino)-3-quinolyl]butan-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)[N+](=O)[O-])C)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)[N+](=O)[O-])C)C=CC=C2OC

InChI

InChI=1S/C21H21N3O4/c1-4-6-18(25)16-12-22-21-15(7-5-8-19(21)28-3)20(16)23-17-10-9-14(24(26)27)11-13(17)2/h5,7-12H,4,6H2,1-3H3,(H,22,23)