2-chloranyl-N-[1-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]benzamide Openeye Name: 2-chloro-N-[1-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]-4-piperidyl]benzamide CAS Name: 2-chloro-N-[1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-4-piperidinyl]benzamide IUPAC Name: 2-chloro-N-[1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide Traditional Name: 2-chloro-N-[1-[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]-4-piperidyl]benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN4O4/c1-14-12-16(26(29)30)6-7-19(14)24-20(27)13-25-10-8-15(9-11-25)23-21(28)17-4-2-3-5-18(17)22/h2-7,12,15H,8-11,13H2,1H3,(H,23,28)(H,24,27)