3-methylbutyl (Z)-3-(2-chlorophenyl)-2-[(3-nitrophenyl)carbonylamino]prop-2-enoate

Systemtic Name: 3-methylbutyl (Z)-3-(2-chlorophenyl)-2-[(3-nitrophenyl)carbonylamino]prop-2-enoate Openeye Name: isopentyl (Z)-3-(2-chlorophenyl)-2-[(3-nitrobenzoyl)amino]prop-2-enoate CAS Name: (Z)-3-(2-chlorophenyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (Z)-3-(2-chlorophenyl)-2-[(3-nitrobenzoyl)amino]prop-2-enoate Traditional Name: (Z)-3-(2-chlorophenyl)-2-[(3-nitrobenzoyl)amino]acrylic acid isoamyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(=CC1=CC=CC=C1Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)/C(=C/C1=CC=CC=C1Cl)/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN2O5/c1-14(2)10-11-29-21(26)19(13-15-6-3-4-9-18(15)22)23-20(25)16-7-5-8-17(12-16)24(27)28/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)/b19-13-