2-(3,4-dihydro-2H-chromen-4-ylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3,4-dihydro-2H-chromen-4-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(chroman-4-ylamino)-5-nitro-benzonitrile CAS Name: 2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(3,4-dihydro-2H-chromen-4-ylamino)-5-nitrobenzonitrile Traditional Name: 2-(chroman-4-ylamino)-5-nitro-benzonitrile Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COC2=CC=CC=C2C1NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O3/c17-10-11-9-12(19(20)21)5-6-14(11)18-15-7-8-22-16-4-2-1-3-13(15)16/h1-6,9,15,18H,7-8H2