ethyl 3-nitro-5-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-[4-[2-(benzylamino)-2-oxo-ethyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(benzylamino)-2-oxoethyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[2-(benzylamino)-2-keto-ethyl]piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6/c1-2-33-23(30)19-12-18(13-20(14-19)27(31)32)22(29)26-10-8-25(9-11-26)16-21(28)24-15-17-6-4-3-5-7-17/h3-7,12-14H,2,8-11,15-16H2,1H3,(H,24,28)