N-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-nitro-aniline

Systemtic Name: N-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-nitro-aniline Openeye Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-nitro-aniline CAS Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-nitroaniline IUPAC Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-nitroaniline Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)methyl-(3-nitrophenyl)amine Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CNC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CNC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O4/c15-12-4-9(5-13-14(12)21-8-20-13)7-16-10-2-1-3-11(6-10)17(18)19/h1-6,16H,7-8H2