N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloranyl-4-nitro-aniline

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloranyl-4-nitro-aniline Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-4-nitro-aniline CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-4-nitroaniline IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-homopiperonyl-amine Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H13ClN2O4/c16-12-8-11(18(19)20)2-3-13(12)17-6-5-10-1-4-14-15(7-10)22-9-21-14/h1-4,7-8,17H,5-6,9H2