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azane; 1-methyl-4-nitro-benzene; 2-nitroaniline; 3-nitroaniline

azane; 1-methyl-4-nitro-benzene; 2-nitroaniline; 3-nitroaniline

Systemtic Name:azane; 1-methyl-4-nitro-benzene; 2-nitroaniline; 3-nitroaniline
Openeye Name:ammonia; 1-methyl-4-nitro-benzene; 2-nitroaniline; 3-nitroaniline
CAS Name:ammonia; 1-methyl-4-nitrobenzene; 2-nitroaniline; 3-nitroaniline
IUPAC Name:azane; 1-methyl-4-nitrobenzene; 2-nitroaniline; 3-nitroaniline
Traditional Name:ammonia; 1-methyl-4-nitro-benzene; (2-nitrophenyl)amine; (3-nitrophenyl)amine
Formula: C19H22N6O6
MolecularWeight: 430.41458
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C(=C1)N)[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])N.N


Isomeric SMILES

CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C(=C1)N)[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])N.N


InChI

InChI=1S/C7H7NO2.2C6H6N2O2.H3N/c1-6-2-4-7(5-3-6)8(9)10;7-5-2-1-3-6(4-5)8(9)10;7-5-3-1-2-4-6(5)8(9)10;/h2-5H,1H3;2*1-4H,7H2;1H3


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