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

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

Systemtic Name:2-[[1-cycloheptyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoic acid
Openeye Name:2-[(1-cycloheptyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid
CAS Name:2-[(1-cycloheptyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid
IUPAC Name:2-[(1-cycloheptyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid
Traditional Name:2-[(1-cycloheptyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid
Formula: C19H21N3O5
MolecularWeight: 371.38714
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)C(=CNC3=CC=CC=C3C(=O)O)C(=O)NC2=O


Isomeric SMILES

C1CCCC(CC1)N2C(=O)C(=CNC3=CC=CC=C3C(=O)O)C(=O)NC2=O


InChI

InChI=1S/C19H21N3O5/c23-16-14(11-20-15-10-6-5-9-13(15)18(25)26)17(24)22(19(27)21-16)12-7-3-1-2-4-8-12/h5-6,9-12,20H,1-4,7-8H2,(H,25,26)(H,21,23,27)


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