3-methylbutyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 3-methylbutyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid isoamyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-15(2)12-13-28-21(25)17-7-9-18(10-8-17)22-20(24)11-6-16-4-3-5-19(14-16)23(26)27/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)/b11-6+