2,6-bis(chloranyl)-4-nitro-aniline; 3-chloranyl-4-nitro-aniline; 2-methoxy-4-nitro-aniline

Systemtic Name: 2,6-bis(chloranyl)-4-nitro-aniline; 3-chloranyl-4-nitro-aniline; 2-methoxy-4-nitro-aniline Openeye Name: 3-chloro-4-nitro-aniline; 2,6-dichloro-4-nitro-aniline; 2-methoxy-4-nitro-aniline CAS Name: 3-chloro-4-nitroaniline; 2,6-dichloro-4-nitroaniline; 2-methoxy-4-nitroaniline IUPAC Name: 3-chloro-4-nitroaniline; 2,6-dichloro-4-nitroaniline; 2-methoxy-4-nitroaniline Traditional Name: (3-chloro-4-nitro-phenyl)amine; (2,6-dichloro-4-nitro-phenyl)amine; (2-methoxy-4-nitro-phenyl)amine Formula: C19H17Cl3N6O7 MolecularWeight: 547.73328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])N.C1=CC(=C(C=C1N)Cl)[N+](=O)[O-].C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N.C1=CC(=C(C=C1N)Cl)[N+](=O)[O-].C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O3.C6H4Cl2N2O2.C6H5ClN2O2/c1-12-7-4-5(9(10)11)2-3-6(7)8;7-4-1-3(10(11)12)2-5(8)6(4)9;7-5-3-4(8)1-2-6(5)9(10)11/h2-4H,8H2,1H3;1-2H,9H2;1-3H,8H2