9H-fluoren-9-ylmethyl 8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 8-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(N1)C=C(C=C2)[N+](=O)[O-])C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1CN(CC2=C(N1)C=C(C=C2)[N+](=O)[O-])C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C24H21N3O4/c28-24(26-12-11-25-23-13-17(27(29)30)10-9-16(23)14-26)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,13,22,25H,11-12,14-15H2