4-[4-(3-azanyl-2-nitro-cyclohexa-1,3-dien-1-yl)phenyl]sulfanyl-2-nitro-aniline

Systemtic Name: 4-[4-(3-azanyl-2-nitro-cyclohexa-1,3-dien-1-yl)phenyl]sulfanyl-2-nitro-aniline Openeye Name: 4-[4-(3-amino-2-nitro-cyclohexa-1,3-dien-1-yl)phenyl]sulfanyl-2-nitro-aniline CAS Name: 4-[[4-(3-amino-2-nitro-1-cyclohexa-1,3-dienyl)phenyl]thio]-2-nitroaniline IUPAC Name: 4-[4-(3-amino-2-nitrocyclohexa-1,3-dien-1-yl)phenyl]sulfanyl-2-nitroaniline Traditional Name: [4-[[4-(3-amino-2-nitro-cyclohexa-1,3-dien-1-yl)phenyl]thio]-2-nitro-phenyl]amine Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)N)[N+](=O)[O-])C2=CC=C(C=C2)SC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C(=C1)N)[N+](=O)[O-])C2=CC=C(C=C2)SC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c19-15-9-8-13(10-17(15)21(23)24)27-12-6-4-11(5-7-12)14-2-1-3-16(20)18(14)22(25)26/h3-10H,1-2,19-20H2