3-methyl-4-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-3-[5-(2-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-3-[5-(2-nitrophenyl)-2-furyl]acryloyl]amino]benzoic acid Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6/c1-13-12-14(21(25)26)6-9-17(13)22-20(24)11-8-15-7-10-19(29-15)16-4-2-3-5-18(16)23(27)28/h2-12H,1H3,(H,22,24)(H,25,26)/b11-8+