ethyl 3-[(3S)-3-(1H-indol-2-yl)-5-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl 3-[(3S)-3-(1H-indol-2-yl)-5-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl 3-[(3S)-3-(1H-indol-2-yl)-5-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]but-2-enoate CAS Name: 3-[(3S)-3-(1H-indol-2-yl)-5-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-[(3S)-3-(1H-indol-2-yl)-5-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]but-2-enoate Traditional Name: 3-[(5S)-5-(1H-indol-2-yl)-3-(3-nitrophenyl)-3-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(C=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C=C(C)N1[C@@H](C=C(N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H22N4O4/c1-3-31-23(28)11-15(2)26-22(21-13-17-7-4-5-10-19(17)24-21)14-20(25-26)16-8-6-9-18(12-16)27(29)30/h4-14,22,24-25H,3H2,1-2H3/t22-/m0/s1