5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(1-cyclohexenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CCCCC3

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CCCCC3

InChI

InChI=1S/C16H17N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3