N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]-4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]-4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-[(2-amino-2-keto-ethyl)carbamoyl]phenyl]-4-(3,5-dimethylpiperidino)-3-nitro-benzamide Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N5O5/c1-14-8-15(2)13-27(12-14)19-7-6-17(10-20(19)28(32)33)23(31)26-18-5-3-4-16(9-18)22(30)25-11-21(24)29/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H2,24,29)(H,25,30)(H,26,31)