ethyl 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazino]-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CC(NC(C3)C)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3C[C@H](N[C@H](C3)C)C)C4CC4

InChI

InChI=1S/C21H26N4O5/c1-4-30-21(27)16-11-24(14-5-6-14)17-8-18(23-9-12(2)22-13(3)10-23)19(25(28)29)7-15(17)20(16)26/h7-8,11-14,22H,4-6,9-10H2,1-3H3/t12-,13+