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1-[(2-methyl-5-nitro-phenyl)amino]ethylidene-(3-oxidanylpropyl)azanium

1-[(2-methyl-5-nitro-phenyl)amino]ethylidene-(3-oxidanylpropyl)azanium

Systemtic Name:1-[(2-methyl-5-nitro-phenyl)amino]ethylidene-(3-oxidanylpropyl)azanium
Openeye Name:3-hydroxypropyl-[1-(2-methyl-5-nitro-anilino)ethylidene]ammonium
CAS Name:3-hydroxypropyl-[1-(2-methyl-5-nitroanilino)ethylidene]ammonium
IUPAC Name:3-hydroxypropyl-[1-(2-methyl-5-nitroanilino)ethylidene]azanium
Traditional Name:3-hydroxypropyl-[1-(2-methyl-5-nitro-anilino)ethylidene]ammonium
Formula: C12H18N3O3+
MolecularWeight: 252.28962
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[NH+]CCCO)C


Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[NH+]CCCO)C


InChI

InChI=1S/C12H17N3O3/c1-9-4-5-11(15(17)18)8-12(9)14-10(2)13-6-3-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,13,14)/p+1


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