5-(4-methoxy-3-nitro-phenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 5-(4-methoxy-3-nitro-phenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 5-(4-methoxy-3-nitro-phenyl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 5-(4-methoxy-3-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-methoxy-3-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 5-(4-methoxy-3-nitro-phenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NCC(=O)NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NCC(=O)NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-23-14-7-6-10(8-13(14)19(21)22)16-11-4-2-3-5-12(11)18-15(20)9-17-16/h2-8H,9H2,1H3,(H,18,20)