4-chloranyl-3-methoxy-2,6-dinitro-N-pentan-3-yl-aniline

Systemtic Name: 4-chloranyl-3-methoxy-2,6-dinitro-N-pentan-3-yl-aniline Openeye Name: 4-chloro-N-(1-ethylpropyl)-3-methoxy-2,6-dinitro-aniline CAS Name: 4-chloro-3-methoxy-2,6-dinitro-N-pentan-3-ylaniline IUPAC Name: 4-chloro-3-methoxy-2,6-dinitro-N-pentan-3-ylaniline Traditional Name: (4-chloro-3-methoxy-2,6-dinitro-phenyl)-(1-ethylpropyl)amine Formula: C12H16ClN3O5 MolecularWeight: 317.72554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C(=C(C=C1[N+](=O)[O-])Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C(=C(C=C1[N+](=O)[O-])Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClN3O5/c1-4-7(5-2)14-10-9(15(17)18)6-8(13)12(21-3)11(10)16(19)20/h6-7,14H,4-5H2,1-3H3