heptane; 4-nitroaniline

Systemtic Name: heptane; 4-nitroaniline Openeye Name: heptane; 4-nitroaniline CAS Name: heptane; 4-nitroaniline IUPAC Name: heptane; 4-nitroaniline Traditional Name: n-heptane; (4-nitrophenyl)amine Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.C1=CC(=CC=C1N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC.C1=CC(=CC=C1N)[N+](=O)[O-]

InChI

InChI=1S/C7H16.C6H6N2O2/c1-3-5-7-6-4-2;7-5-1-3-6(4-2-5)8(9)10/h3-7H2,1-2H3;1-4H,7H2