1-azanyl-4-(butylamino)-3-cyano-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 1-azanyl-4-(butylamino)-3-cyano-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 1-amino-4-(butylamino)-3-cyano-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 1-amino-4-(butylamino)-3-cyano-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-(butylamino)-3-cyano-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 1-amino-4-(butylamino)-3-cyano-9,10-diketo-anthracene-2-carboxylic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=C(C(=C1C#N)C(=O)O)N)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCNC1=C2C(=C(C(=C1C#N)C(=O)O)N)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17N3O4/c1-2-3-8-23-17-12(9-21)13(20(26)27)16(22)14-15(17)19(25)11-7-5-4-6-10(11)18(14)24/h4-7,23H,2-3,8,22H2,1H3,(H,26,27)