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

Systemtic Name: 4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzoate Openeye Name: 4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzoate CAS Name: 4-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]benzoate IUPAC Name: 4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzoate Traditional Name: 4-[[[(E)-3-(4-nitrophenyl)acryloyl]amino]methyl]benzoate Formula: C17H13N2O5- MolecularWeight: 325.29552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H14N2O5/c20-16(10-5-12-3-8-15(9-4-12)19(23)24)18-11-13-1-6-14(7-2-13)17(21)22/h1-10H,11H2,(H,18,20)(H,21,22)/p-1/b10-5+