N-(3-chloranyl-2-methoxy-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(3-chloranyl-2-methoxy-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(3-chloro-2-methoxy-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(3-chloro-2-methoxyphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(3-chloro-2-methoxyphenyl)-2,4,6-trinitroaniline Traditional Name: (3-chloro-2-methoxy-phenyl)-picryl-amine Formula: C13H9ClN4O7 MolecularWeight: 368.68616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC=C1Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN4O7/c1-25-13-8(14)3-2-4-9(13)15-12-10(17(21)22)5-7(16(19)20)6-11(12)18(23)24/h2-6,15H,1H3