methyl 3-[[1-cycloheptyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: methyl 3-[[1-cycloheptyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: methyl 3-[(1-cycloheptyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 3-[(1-cycloheptyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-cycloheptyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 3-[(1-cycloheptyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=O)N(C2=O)C3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=O)N(C2=O)C3CCCCCC3

InChI

InChI=1S/C20H23N3O5/c1-28-19(26)13-7-6-8-14(11-13)21-12-16-17(24)22-20(27)23(18(16)25)15-9-4-2-3-5-10-15/h6-8,11-12,15,21H,2-5,9-10H2,1H3,(H,22,24,27)