[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-(3-nitrophenyl)prop-2-enoate CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-(3-nitrophenyl)prop-2-enoate Traditional Name: 3-(3-nitrophenyl)acrylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-3-16-8-6-9-17(4-2)21(16)22-19(24)14-28-20(25)12-11-15-7-5-10-18(13-15)23(26)27/h5-13H,3-4,14H2,1-2H3,(H,22,24)