carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(3-nitrophenyl)azanium

Systemtic Name: carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(3-nitrophenyl)azanium Openeye Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(3-nitrophenyl)ammonium CAS Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-(3-nitrophenyl)ammonium IUPAC Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-nitrophenyl)azanium Traditional Name: amidino-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(3-nitrophenyl)ammonium Formula: C20H19N6O4+ MolecularWeight: 407.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=CC(=C3)[N+](=O)[O-])C(=N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=CC(=C3)[N+](=O)[O-])C(=N)N)O)C

InChI

InChI=1S/C20H19N6O4/c1-20(2)18(27)17(15-8-12(10-21)6-7-16(15)30-20)26(11-22,19(23)24)14-5-3-4-13(9-14)25(28)29/h3-9,17-18,27H,1-2H3,(H3,23,24)/q+1