[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-2-3-6-16-9-12-18(13-10-16)22-20(24)15-28-21(25)14-11-17-7-4-5-8-19(17)23(26)27/h4-5,7-14H,2-3,6,15H2,1H3,(H,22,24)/b14-11+