(E)-3-[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-nitro-4-[1-(o-tolyl)ethylamino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-nitro-4-[1-(o-tolyl)ethylamino]phenyl]acrylic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c1-12-5-3-4-6-15(12)13(2)19-16-9-7-14(8-10-18(21)22)11-17(16)20(23)24/h3-11,13,19H,1-2H3,(H,21,22)/b10-8+