N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-7-methoxy-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-7-methoxy-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-keto-7-methoxy-1H-quinoline-3-carboxamide Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H21N3O7/c1-29-13-4-5-14-16(9-13)23-11-15(20(14)25)21(26)22-7-6-12-8-18(30-2)19(31-3)10-17(12)24(27)28/h4-5,8-11H,6-7H2,1-3H3,(H,22,26)(H,23,25)