(Z)-4-[4-(dimethylamino)-3-nitro-phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-[4-(dimethylamino)-3-nitro-phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-[4-(dimethylamino)-3-nitro-phenyl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-[4-(dimethylamino)-3-nitrophenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-[4-(dimethylamino)-3-nitrophenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-4-[4-(dimethylamino)-3-nitro-phenyl]-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)/C=C(/C2=NC3=CC=CC=C3C=C2)\C(=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5/c1-23(2)18-10-7-13(12-19(18)24(28)29)11-15(20(25)21(26)27)17-9-8-14-5-3-4-6-16(14)22-17/h3-12H,1-2H3,(H,26,27)/b15-11-