[3-chloranyl-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [3-chloranyl-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [1-(chloromethyl)-2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-oxo-ethyl]carbamic acid CAS Name: [3-chloro-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]carbamic acid IUPAC Name: [3-chloro-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]carbamic acid Traditional Name: [1-(chloromethyl)-2-keto-2-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]ethyl]carbamic acid Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CCl)NC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CCl)NC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O4/c1-25-15-10-6-5-9-13(15)16(12-7-3-2-4-8-12)23-17(19(25)27)24-18(26)14(11-21)22-20(28)29/h2-10,14,17,22H,11H2,1H3,(H,24,26)(H,28,29)