3-isocyanopropyl-dimethyl-[5-nitro-3-[(4-nitrophenyl)amino]-1H-indol-2-yl]azanium

Systemtic Name: 3-isocyanopropyl-dimethyl-[5-nitro-3-[(4-nitrophenyl)amino]-1H-indol-2-yl]azanium Openeye Name: 3-isocyanopropyl-dimethyl-[5-nitro-3-(4-nitroanilino)-1H-indol-2-yl]ammonium CAS Name: 3-isocyanopropyl-dimethyl-[5-nitro-3-(4-nitroanilino)-1H-indol-2-yl]ammonium IUPAC Name: 3-isocyanopropyl-dimethyl-[5-nitro-3-(4-nitroanilino)-1H-indol-2-yl]azanium Traditional Name: 3-isocyanopropyl-dimethyl-[5-nitro-3-(4-nitroanilino)-1H-indol-2-yl]ammonium Formula: C20H21N6O4+ MolecularWeight: 409.41854

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC[N+]#[C-])C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(CCC[N+]#[C-])C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N6O4/c1-21-11-4-12-26(2,3)20-19(22-14-5-7-15(8-6-14)24(27)28)17-13-16(25(29)30)9-10-18(17)23-20/h5-10,13,22-23H,4,11-12H2,2-3H3/q+1