[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H16N4O5/c18-8-2-10-20(11-3-9-19)16(22)13-26-17(23)7-6-14-4-1-5-15(12-14)21(24)25/h1,4-7,12H,2-3,10-11,13H2/b7-6+