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4-(3-azanyl-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-3-nitro-benzoic acid

4-(3-azanyl-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-3-nitro-benzoic acid

Systemtic Name:4-(3-azanyl-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-3-nitro-benzoic acid
Openeye Name:4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-3-nitro-benzoic acid
CAS Name:4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-3-nitrobenzoic acid
IUPAC Name:4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-3-nitrobenzoic acid
Traditional Name:4-(3-amino-2,2,4-tricyano-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)-3-nitro-benzoic acid
Formula: C20H15N5O4
MolecularWeight: 389.3642
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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C20H15N5O4/c21-8-15-12-3-1-2-4-13(12)17(20(9-22,10-23)18(15)24)14-6-5-11(19(26)27)7-16(14)25(28)29/h3,5-7,13,17H,1-2,4,24H2,(H,26,27)


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