4-chloranyl-2-nitro-5-piperazin-1-yl-N-prop-2-enyl-aniline hydrochloride

Systemtic Name: 4-chloranyl-2-nitro-5-piperazin-1-yl-N-prop-2-enyl-aniline hydrochloride Openeye Name: N-allyl-4-chloro-2-nitro-5-piperazin-1-yl-aniline hydrochloride CAS Name: 4-chloro-2-nitro-5-(1-piperazinyl)-N-prop-2-enylaniline hydrochloride IUPAC Name: 4-chloro-2-nitro-5-piperazin-1-yl-N-prop-2-enylaniline hydrochloride Traditional Name: allyl-(4-chloro-2-nitro-5-piperazino-phenyl)amine hydrochloride Formula: C13H18Cl2N4O2 MolecularWeight: 333.21362

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=C(C(=C1)N2CCNCC2)Cl)[N+](=O)[O-].Cl

Isomeric SMILES

C=CCNC1=C(C=C(C(=C1)N2CCNCC2)Cl)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H17ClN4O2.ClH/c1-2-3-16-11-9-12(17-6-4-15-5-7-17)10(14)8-13(11)18(19)20;/h2,8-9,15-16H,1,3-7H2;1H