(3Z)-5-(2-chlorophenyl)-1-methyl-3-(morpholin-4-ylmethylidene)-7-nitro-1,4-benzodiazepin-2-one

Systemtic Name: (3Z)-5-(2-chlorophenyl)-1-methyl-3-(morpholin-4-ylmethylidene)-7-nitro-1,4-benzodiazepin-2-one Openeye Name: (3Z)-5-(2-chlorophenyl)-1-methyl-3-(morpholinomethylene)-7-nitro-1,4-benzodiazepin-2-one CAS Name: (3Z)-5-(2-chlorophenyl)-1-methyl-3-(4-morpholinylmethylidene)-7-nitro-1,4-benzodiazepin-2-one IUPAC Name: (3Z)-5-(2-chlorophenyl)-1-methyl-3-(morpholin-4-ylmethylidene)-7-nitro-1,4-benzodiazepin-2-one Traditional Name: (3Z)-5-(2-chlorophenyl)-1-methyl-3-(morpholinomethylene)-7-nitro-1,4-benzodiazepin-2-one Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(=CN3CCOCC3)C1=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N/C(=C\N3CCOCC3)/C1=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN4O4/c1-24-19-7-6-14(26(28)29)12-16(19)20(15-4-2-3-5-17(15)22)23-18(21(24)27)13-25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3/b18-13-