[[1-(2,3-dimethylphenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid

Systemtic Name: [[1-(2,3-dimethylphenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid Openeye Name: [[1-(2,3-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid CAS Name: [[1-(2,3-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid IUPAC Name: [[1-(2,3-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid Traditional Name: [[1-(2,3-dimethylphenyl)-2-keto-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)CC(=NC3=CC=CC=C32)NNC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)CC(=NC3=CC=CC=C32)NNC(=O)O)C

InChI

InChI=1S/C18H18N4O3/c1-11-6-5-9-14(12(11)2)22-15-8-4-3-7-13(15)19-16(10-17(22)23)20-21-18(24)25/h3-9,21H,10H2,1-2H3,(H,19,20)(H,24,25)