N-(3-ethynylphenyl)-7-nitro-quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-ethynylphenyl)-7-nitro-quinazolin-4-amine hydrochloride Openeye Name: N-(3-ethynylphenyl)-7-nitro-quinazolin-4-amine hydrochloride CAS Name: N-(3-ethynylphenyl)-7-nitro-4-quinazolinamine hydrochloride IUPAC Name: N-(3-ethynylphenyl)-7-nitroquinazolin-4-amine hydrochloride Traditional Name: (3-ethynylphenyl)-(7-nitroquinazolin-4-yl)amine hydrochloride Formula: C16H11ClN4O2 MolecularWeight: 326.73714

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H10N4O2.ClH/c1-2-11-4-3-5-12(8-11)19-16-14-7-6-13(20(21)22)9-15(14)17-10-18-16;/h1,3-10H,(H,17,18,19);1H