6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate IUPAC Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Formula: C11H11N2O4- MolecularWeight: 235.21604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1C=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CCC2=C1C=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H12N2O4/c14-11(15)12-6-4-8-2-1-3-10(13(16)17)9(8)5-7-12/h1-3H,4-7H2,(H,14,15)/p-1