4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(4-methylanilino)-2-oxo-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-(3-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-keto-2-(p-toluidino)ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-15-5-7-16(8-6-15)21-19(26)14-23-9-11-24(12-10-23)20(27)22-17-3-2-4-18(13-17)25(28)29/h2-8,13H,9-12,14H2,1H3,(H,21,26)(H,22,27)