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

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-(3-nitrophenyl)prop-2-enoate CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-(3-nitrophenyl)prop-2-enoate Traditional Name: 3-(3-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=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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