1-azanyl-8-nitro-5-oxidanyl-4-(4-oxidanylbutan-2-ylamino)anthracene-9,10-dione

Systemtic Name: 1-azanyl-8-nitro-5-oxidanyl-4-(4-oxidanylbutan-2-ylamino)anthracene-9,10-dione Openeye Name: 1-amino-5-hydroxy-4-[(3-hydroxy-1-methyl-propyl)amino]-8-nitro-anthracene-9,10-dione CAS Name: 1-amino-5-hydroxy-4-(4-hydroxybutan-2-ylamino)-8-nitroanthracene-9,10-dione IUPAC Name: 1-amino-5-hydroxy-4-(4-hydroxybutan-2-ylamino)-8-nitroanthracene-9,10-dione Traditional Name: 1-amino-5-hydroxy-4-[(3-hydroxy-1-methyl-propyl)amino]-8-nitro-9,10-anthraquinone Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)NC1=C2C(=C(C=C1)N)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(CCO)NC1=C2C(=C(C=C1)N)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c1-8(6-7-22)20-10-3-2-9(19)13-14(10)18(25)16-12(23)5-4-11(21(26)27)15(16)17(13)24/h2-5,8,20,22-23H,6-7,19H2,1H3