(3E)-3-(morpholin-4-ylmethylidene)-7-nitro-5-phenyl-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-3-(morpholin-4-ylmethylidene)-7-nitro-5-phenyl-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-3-(morpholinomethylene)-7-nitro-5-phenyl-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-3-(4-morpholinylmethylidene)-7-nitro-5-phenyl-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-3-(morpholin-4-ylmethylidene)-7-nitro-5-phenyl-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-(morpholinomethylene)-7-nitro-5-phenyl-4H-1,4-benzodiazepin-2-one Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C=C2C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1/C=C/2\C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4/c25-20-18(13-23-8-10-28-11-9-23)21-19(14-4-2-1-3-5-14)16-12-15(24(26)27)6-7-17(16)22-20/h1-7,12-13,21H,8-11H2/b18-13+