N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-3-(4-keto-1,2,3-benzotriazin-3-yl)-N-methyl-propionamide Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H16ClN5O4/c1-22(11-12-10-13(24(27)28)6-7-15(12)19)17(25)8-9-23-18(26)14-4-2-3-5-16(14)20-21-23/h2-7,10H,8-9,11H2,1H3