N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine; ethanedioic acid

Systemtic Name: N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine; ethanedioic acid Openeye Name: N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine; oxalic acid CAS Name: N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-propanamine; oxalic acid IUPAC Name: N,N-dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine; oxalic acid Traditional Name: dimethyl-[3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]amine; oxalic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O2.C2H2O4/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22(23)24)10-11-19(16)21;3-1(4)2(5)6/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;(H,3,4)(H,5,6)