8-nitro-5-(phenylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one

Systemtic Name: 8-nitro-5-(phenylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one Openeye Name: 5-benzyl-8-nitro-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one CAS Name: 8-nitro-5-(phenylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one IUPAC Name: 5-benzyl-8-nitro-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one Traditional Name: 5-benzyl-8-nitro-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=NC3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CC4=CC=CC=C4)C1

Isomeric SMILES

C1CC2C(=NC3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CC4=CC=CC=C4)C1

InChI

InChI=1S/C19H17N3O3/c23-19-15-7-4-8-16(15)20-17-11-14(22(24)25)9-10-18(17)21(19)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2