(2R,3S)-2-benzamido-4-methoxycarbonyl-3-(4-nitrophenyl)pent-4-enoic acid

Systemtic Name: (2R,3S)-2-benzamido-4-methoxycarbonyl-3-(4-nitrophenyl)pent-4-enoic acid Openeye Name: (2R,3S)-2-benzamido-4-methoxycarbonyl-3-(4-nitrophenyl)pent-4-enoic acid CAS Name: (2R,3S)-2-benzamido-4-methoxycarbonyl-3-(4-nitrophenyl)-4-pentenoic acid IUPAC Name: (2R,3S)-2-benzamido-4-methoxycarbonyl-3-(4-nitrophenyl)pent-4-enoic acid Traditional Name: (2R,3S)-2-benzamido-4-carbomethoxy-3-(4-nitrophenyl)pent-4-enoic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C(=C)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])[C@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H18N2O7/c1-12(20(26)29-2)16(13-8-10-15(11-9-13)22(27)28)17(19(24)25)21-18(23)14-6-4-3-5-7-14/h3-11,16-17H,1H2,2H3,(H,21,23)(H,24,25)/t16-,17-/m1/s1