[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C27H20N4O7 MolecularWeight: 512.4703

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O7/c32-25(28-20-10-11-23-24(14-20)38-17-37-23)16-36-26(33)12-9-19-15-30(21-6-2-1-3-7-21)29-27(19)18-5-4-8-22(13-18)31(34)35/h1-15H,16-17H2,(H,28,32)