(E)-2-[(4-methylphenyl)carbonylamino]-3-(5-nitrofuran-2-yl)prop-2-enoic acid

Systemtic Name: (E)-2-[(4-methylphenyl)carbonylamino]-3-(5-nitrofuran-2-yl)prop-2-enoic acid Openeye Name: (E)-2-[(4-methylbenzoyl)amino]-3-(5-nitro-2-furyl)prop-2-enoic acid CAS Name: (E)-2-[[(4-methylphenyl)-oxomethyl]amino]-3-(5-nitro-2-furanyl)-2-propenoic acid IUPAC Name: (E)-2-[(4-methylbenzoyl)amino]-3-(5-nitrofuran-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-nitro-2-furyl)-2-(p-toluoylamino)acrylic acid Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O6/c1-9-2-4-10(5-3-9)14(18)16-12(15(19)20)8-11-6-7-13(23-11)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20)/b12-8+