(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H21N5O4/c1-13(2)22-20(28)21-11-14-7-9-15(10-8-14)19(27)29-12-25-18(26)16-5-3-4-6-17(16)23-24-25/h3-10,13H,11-12H2,1-2H3,(H2,21,22,28)