(4-carbamimidoylphenyl) (E)-2-methyl-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (4-carbamimidoylphenyl) (E)-2-methyl-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate Openeye Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-5-nitro-phenyl)-2-methyl-prop-2-enoate CAS Name: (E)-3-(2-hydroxy-5-nitrophenyl)-2-methyl-2-propenoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-5-nitrophenyl)-2-methylprop-2-enoate Traditional Name: (E)-3-(2-hydroxy-5-nitro-phenyl)-2-methyl-acrylic acid (4-amidinophenyl) ester Formula: C17H15N3O5 MolecularWeight: 341.3181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)[N+](=O)[O-])O)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)[N+](=O)[O-])O)/C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H15N3O5/c1-10(8-12-9-13(20(23)24)4-7-15(12)21)17(22)25-14-5-2-11(3-6-14)16(18)19/h2-9,21H,1H3,(H3,18,19)/b10-8+