2-chloranyl-5-nitro-benzoic acid; 2,8-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-4-amine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 2,8-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-4-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 2,8-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-4-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 2,8-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-4-amine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 2,8-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-4-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (2,8-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl)amine Formula: C17H19ClN4O4 MolecularWeight: 378.81016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CCCN2C)C(=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=NC2=C(CCCN2C)C(=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C10H15N3.C7H4ClNO4/c1-7-6-9(11)8-4-3-5-13(2)10(8)12-7;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h6H,3-5H2,1-2H3,(H2,11,12);1-3H,(H,10,11)