5-(2-dimethylaminoethyl)-11-(2-nitropropan-2-yl)-11H-benzo[c][1]benzazepin-6-one

Systemtic Name: 5-(2-dimethylaminoethyl)-11-(2-nitropropan-2-yl)-11H-benzo[c][1]benzazepin-6-one Openeye Name: 5-(2-dimethylaminoethyl)-11-(1-methyl-1-nitro-ethyl)-11H-benzo[c][1]benzazepin-6-one CAS Name: 5-(2-dimethylaminoethyl)-11-(2-nitropropan-2-yl)-11H-benzo[c][1]benzazepin-6-one IUPAC Name: 5-(2-dimethylaminoethyl)-11-(2-nitropropan-2-yl)-11H-benzo[c][1]benzazepin-6-one Traditional Name: 5-(2-dimethylaminoethyl)-11-(1-methyl-1-nitro-ethyl)-11H-benzo[c][1]benzazepin-6-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-21(2,24(26)27)19-15-9-5-6-10-16(15)20(25)23(14-13-22(3)4)18-12-8-7-11-17(18)19/h5-12,19H,13-14H2,1-4H3