(4S,5S)-4-(2-ethoxy-5-nitro-phenyl)-6-methylidene-N-(2-methylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5S)-4-(2-ethoxy-5-nitro-phenyl)-6-methylidene-N-(2-methylphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5S)-4-(2-ethoxy-5-nitro-phenyl)-6-methylene-N-(o-tolyl)-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5S)-4-(2-ethoxy-5-nitrophenyl)-6-methylene-N-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5S)-4-(2-ethoxy-5-nitrophenyl)-6-methylidene-N-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: (4S,5S)-4-(2-ethoxy-5-nitro-phenyl)-2-keto-6-methylene-N-(o-tolyl)hexahydropyrimidine-5-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H22N4O5/c1-4-30-17-10-9-14(25(28)29)11-15(17)19-18(13(3)22-21(27)24-19)20(26)23-16-8-6-5-7-12(16)2/h5-11,18-19H,3-4H2,1-2H3,(H,23,26)(H2,22,24,27)/t18-,19-/m1/s1