4-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: 4-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-benzamido-3-(3-nitrophenyl)acryloyl]amino]butyrate Formula: C20H18N3O6- MolecularWeight: 396.37342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c24-18(25)10-5-11-21-20(27)17(22-19(26)15-7-2-1-3-8-15)13-14-6-4-9-16(12-14)23(28)29/h1-4,6-9,12-13H,5,10-11H2,(H,21,27)(H,22,26)(H,24,25)/p-1/b17-13+