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

Systemtic Name: (E)-3-[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-(2-bromophenyl)ethylamino]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-(2-bromophenyl)ethylamino]-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]acrylic acid Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O4/c1-11(13-4-2-3-5-14(13)18)19-15-8-6-12(7-9-17(21)22)10-16(15)20(23)24/h2-11,19H,1H3,(H,21,22)/b9-7+