3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-nitro-phenyl]amino]propanenitrile

Systemtic Name: 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-nitro-phenyl]amino]propanenitrile Openeye Name: 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-nitro-anilino]propanenitrile CAS Name: 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-nitroanilino]propanenitrile IUPAC Name: 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-nitroanilino]propanenitrile Traditional Name: 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-nitro-anilino]propionitrile Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=C(C(=CC=C3)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC12OCCO2)C3=C(C(=CC=C3)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c17-7-2-8-18-13-3-1-4-14(15(13)20(21)22)19-9-5-16(6-10-19)23-11-12-24-16/h1,3-4,18H,2,5-6,8-12H2