methyl 4-[(4R,5S)-6-methylidene-5-[(3-nitrophenyl)carbamoyl]-2-oxidanylidene-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[(4R,5S)-6-methylidene-5-[(3-nitrophenyl)carbamoyl]-2-oxidanylidene-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[(4R,5S)-6-methylene-5-[(3-nitrophenyl)carbamoyl]-2-oxo-hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[(4R,5S)-6-methylene-5-[(3-nitroanilino)-oxomethyl]-2-oxo-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R,5S)-6-methylidene-5-[(3-nitrophenyl)carbamoyl]-2-oxo-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[(4R,5S)-2-keto-6-methylene-5-[(3-nitrophenyl)carbamoyl]hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-11-16(18(25)22-14-4-3-5-15(10-14)24(28)29)17(23-20(27)21-11)12-6-8-13(9-7-12)19(26)30-2/h3-10,16-17H,1H2,2H3,(H,22,25)(H2,21,23,27)/t16-,17+/m1/s1