4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(4-methylpiperazino)butyric acid Formula: C15H19ClN4O5 MolecularWeight: 370.78816

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C15H19ClN4O5/c1-18-4-6-19(7-5-18)13(15(22)23)9-14(21)17-12-8-10(20(24)25)2-3-11(12)16/h2-3,8,13H,4-7,9H2,1H3,(H,17,21)(H,22,23)