9-nitro-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: 9-nitro-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 3-(benzyloxymethyl)-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 9-nitro-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 9-nitro-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 3-(benzoxymethyl)-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C2=C(N1)C(=CC=C2)[N+](=O)[O-])COCC3=CC=CC=C3

Isomeric SMILES

C1C(NC(=O)C2=C(N1)C(=CC=C2)[N+](=O)[O-])COCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O4/c21-17-14-7-4-8-15(20(22)23)16(14)18-9-13(19-17)11-24-10-12-5-2-1-3-6-12/h1-8,13,18H,9-11H2,(H,19,21)