(4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C=CC(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)/C=C/C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C27H22N4O5/c28-27(33)21-11-12-23(24(15-21)31(34)35)18-36-25(32)14-13-22-17-30(16-19-7-3-1-4-8-19)29-26(22)20-9-5-2-6-10-20/h1-15,17H,16,18H2,(H2,28,33)/b14-13+