4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(3-nitrophenyl)acryloyl]amino]methyl]benzoic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H14N2O5/c20-16(9-6-12-2-1-3-15(10-12)19(23)24)18-11-13-4-7-14(8-5-13)17(21)22/h1-10H,11H2,(H,18,20)(H,21,22)/b9-6+