N-methyl-4-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: N-methyl-4-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: N-benzyl-N-methyl-4-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-methyl-4-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-benzyl-N-methyl-4-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-benzyl-4-[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]-N-methyl-piperazine-1-carboxamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O4/c1-17-7-6-10-19(27(30)31)21(17)23-20(28)16-25-11-13-26(14-12-25)22(29)24(2)15-18-8-4-3-5-9-18/h3-10H,11-16H2,1-2H3,(H,23,28)