molecular hydrogen; N-(3-nitrophenyl)quinazolin-4-amine; hydrochloride

Systemtic Name: molecular hydrogen; N-(3-nitrophenyl)quinazolin-4-amine; hydrochloride Openeye Name: molecular hydrogen; N-(3-nitrophenyl)quinazolin-4-amine; hydrochloride CAS Name: molecular hydrogen; N-(3-nitrophenyl)-4-quinazolinamine; hydrochloride IUPAC Name: molecular hydrogen; N-(3-nitrophenyl)quinazolin-4-amine; hydrochloride Traditional Name: molecular hydrogen; (3-nitrophenyl)-quinazolin-4-yl-amine; hydrochloride Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

[HH].C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

[HH].C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H10N4O2.ClH.H2/c19-18(20)11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14;;/h1-9H,(H,15,16,17);2*1H