N-(2-azanylethyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(2-azanylethyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-aminoethyl)-4-methyl-3-nitro-benzamide CAS Name: N-(2-aminoethyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-aminoethyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-aminoethyl)-4-methyl-3-nitro-benzamide Formula: C10H13N3O3 MolecularWeight: 223.22852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O3/c1-7-2-3-8(6-9(7)13(15)16)10(14)12-5-4-11/h2-3,6H,4-5,11H2,1H3,(H,12,14)