N-(3-methoxyphenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(3-methoxyphenyl)-2,4,6-trinitro-aniline Openeye Name: N-(3-methoxyphenyl)-2,4,6-trinitro-aniline CAS Name: N-(3-methoxyphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(3-methoxyphenyl)-2,4,6-trinitroaniline Traditional Name: (3-methoxyphenyl)-picryl-amine Formula: C13H10N4O7 MolecularWeight: 334.2411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O7/c1-24-10-4-2-3-8(5-10)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3