4-[bis(2-methoxyethyl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[bis(2-methoxyethyl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[bis(2-methoxyethyl)amino]-3-nitro-benzonitrile CAS Name: 4-[bis(2-methoxyethyl)amino]-3-nitrobenzonitrile IUPAC Name: 4-[bis(2-methoxyethyl)amino]-3-nitrobenzonitrile Traditional Name: 4-[bis(2-methoxyethyl)amino]-3-nitro-benzonitrile Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

COCCN(CCOC)C1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-19-7-5-15(6-8-20-2)12-4-3-11(10-14)9-13(12)16(17)18/h3-4,9H,5-8H2,1-2H3