4-(1,3-benzodioxol-5-yl)-2-nitro-aniline

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-nitro-aniline Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-nitro-aniline CAS Name: 4-(1,3-benzodioxol-5-yl)-2-nitroaniline IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-nitroaniline Traditional Name: [4-(1,3-benzodioxol-5-yl)-2-nitro-phenyl]amine Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O4/c14-10-3-1-8(5-11(10)15(16)17)9-2-4-12-13(6-9)19-7-18-12/h1-6H,7,14H2