propan-2-yl 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-15(2)28-21(25)14-19(17-8-4-3-5-9-17)22-20(24)12-11-16-7-6-10-18(13-16)23(26)27/h3-13,15,19H,14H2,1-2H3,(H,22,24)/b12-11+