1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinoline

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinoline Openeye Name: 1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinoline CAS Name: 1-(4-methyl-3-nitrophenyl)-7-nitro-3,4-dihydroisoquinoline IUPAC Name: 1-(4-methyl-3-nitrophenyl)-7-nitro-3,4-dihydroisoquinoline Traditional Name: 1-(4-methyl-3-nitro-phenyl)-7-nitro-3,4-dihydroisoquinoline Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NCCC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NCCC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-10-2-3-12(8-15(10)19(22)23)16-14-9-13(18(20)21)5-4-11(14)6-7-17-16/h2-5,8-9H,6-7H2,1H3