2-chloranyl-5-nitro-benzoate; (1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-yl)azanium

Systemtic Name: 2-chloranyl-5-nitro-benzoate; (1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-yl)azanium Openeye Name: 2-chloro-5-nitro-benzoate; (1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-yl)ammonium CAS Name: 2-chloro-5-nitrobenzoate; (1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-yl)ammonium IUPAC Name: 2-chloro-5-nitrobenzoate; (1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-yl)azanium Traditional Name: 2-chloro-5-nitro-benzoate; (1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-yl)ammonium Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C3=CC=CC=C3N=C21)[NH3+].C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

CN1CCCC2=C(C3=CC=CC=C3N=C21)[NH3+].C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C13H15N3.C7H4ClNO4/c1-16-8-4-6-10-12(14)9-5-2-3-7-11(9)15-13(10)16;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h2-3,5,7H,4,6,8H2,1H3,(H2,14,15);1-3H,(H,10,11)