(4-ethoxy-3-nitro-phenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C26H27N5O6 MolecularWeight: 505.52248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O6/c1-2-37-25-11-8-20(16-24(25)31(35)36)26(32)29-14-12-28(13-15-29)21-9-10-23(30(33)34)22(17-21)27-18-19-6-4-3-5-7-19/h3-11,16-17,27H,2,12-15,18H2,1H3