1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole

Systemtic Name: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole Openeye Name: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole CAS Name: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole IUPAC Name: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole Traditional Name: 1-methyl-3,6,8-trinitro-9H-$b-carboline Formula: C12H7N5O6 MolecularWeight: 317.21388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)[N+](=O)[O-])C3=CC(=CC(=C3N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=N1)[N+](=O)[O-])C3=CC(=CC(=C3N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N5O6/c1-5-11-8(4-10(13-5)17(22)23)7-2-6(15(18)19)3-9(16(20)21)12(7)14-11/h2-4,14H,1H3