N-hept-2-ynyl-4-nitro-aniline hydrochloride

Systemtic Name: N-hept-2-ynyl-4-nitro-aniline hydrochloride Openeye Name: N-hept-2-ynyl-4-nitro-aniline hydrochloride CAS Name: N-hept-2-ynyl-4-nitroaniline hydrochloride IUPAC Name: N-hept-2-ynyl-4-nitroaniline hydrochloride Traditional Name: hept-2-ynyl-(4-nitrophenyl)amine hydrochloride Formula: C13H17ClN2O2 MolecularWeight: 268.73928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCNC1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCC#CCNC1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N2O2.ClH/c1-2-3-4-5-6-11-14-12-7-9-13(10-8-12)15(16)17;/h7-10,14H,2-4,11H2,1H3;1H