(phenylmethyl) 4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethyl)piperazine-1-carboxylate Openeye Name: benzyl 2-benzyl-4-[2-(3-nitroanilino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-nitroanilino)-2-oxoethyl]-2-(phenylmethyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-4-[2-(3-nitroanilino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 2-benzyl-4-[2-keto-2-(3-nitroanilino)ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O5/c32-26(28-23-12-7-13-24(17-23)31(34)35)19-29-14-15-30(25(18-29)16-21-8-3-1-4-9-21)27(33)36-20-22-10-5-2-6-11-22/h1-13,17,25H,14-16,18-20H2,(H,28,32)