prop-2-enyl (5R,6S)-4-methylidene-6-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: prop-2-enyl (5R,6S)-4-methylidene-6-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (5R,6S)-4-methylene-6-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-oxo-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (5R,6S)-4-methylidene-6-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1C(NC(=O)NC1=C)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O5/c1-3-12-34-23(30)20-15(2)25-24(31)26-22(20)19-14-28(17-9-5-4-6-10-17)27-21(19)16-8-7-11-18(13-16)29(32)33/h3-11,13-14,20,22H,1-2,12H2,(H2,25,26,31)/t20-,22+/m0/s1