3-(2-azanyl-3-nitro-6-oxidanyl-4H-chromen-4-yl)benzenecarbonitrile

Systemtic Name: 3-(2-azanyl-3-nitro-6-oxidanyl-4H-chromen-4-yl)benzenecarbonitrile Openeye Name: 3-(2-amino-6-hydroxy-3-nitro-4H-chromen-4-yl)benzonitrile CAS Name: 3-(2-amino-6-hydroxy-3-nitro-4H-1-benzopyran-4-yl)benzonitrile IUPAC Name: 3-(2-amino-6-hydroxy-3-nitro-4H-chromen-4-yl)benzonitrile Traditional Name: 3-(2-amino-6-hydroxy-3-nitro-4H-chromen-4-yl)benzonitrile Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2C3=C(C=CC(=C3)O)OC(=C2[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2C3=C(C=CC(=C3)O)OC(=C2[N+](=O)[O-])N)C#N

InChI

InChI=1S/C16H11N3O4/c17-8-9-2-1-3-10(6-9)14-12-7-11(20)4-5-13(12)23-16(18)15(14)19(21)22/h1-7,14,20H,18H2