8-nitro-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid

Systemtic Name: 8-nitro-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid Openeye Name: 3-benzyl-8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid CAS Name: 8-nitro-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid IUPAC Name: 3-benzyl-8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid Traditional Name: 3-benzyl-8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=C(C=C2)[N+](=O)[O-])C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C(N(CC2=C(N1)C=C(C=C2)[N+](=O)[O-])C(=O)O)CC3=CC=CC=C3

InChI

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